3-[(S)-(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole

Systemtic Name: 3-[(S)-(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole Openeye Name: 3-[(S)-(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole CAS Name: 3-[(S)-(4-methoxyphenyl)-(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-1H-indole IUPAC Name: 3-[(S)-(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole Traditional Name: 3-[(S)-(4-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole Formula: C22H29N3O+2 MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)OC)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=C(C=C3)OC)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C22H27N3O/c1-16-21(19-6-4-5-7-20(19)23-16)22(25-14-12-24(2)13-15-25)17-8-10-18(26-3)11-9-17/h4-11,22-23H,12-15H2,1-3H3/p+2/t22-/m0/s1