(1S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: (1S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: (1S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: (1S)-1-[3-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: (1S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: (1S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C30H35FN4O2+2 MolecularWeight: 502.622903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=CC(=C(C=C4)OC)C[NH+]5CCN(CC5)C6=CC=CC=C6F

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2CC[NH2+][C@H]3C4=CC(=C(C=C4)OC)C[NH+]5CCN(CC5)C6=CC=CC=C6F

InChI

InChI=1S/C30H33FN4O2/c1-36-22-8-9-26-24(18-22)23-11-12-32-29(30(23)33-26)20-7-10-28(37-2)21(17-20)19-34-13-15-35(16-14-34)27-6-4-3-5-25(27)31/h3-10,17-18,29,32-33H,11-16,19H2,1-2H3/p+2/t29-/m0/s1