[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: [3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]phenyl]-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxyphenyl]-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3C4=CC=CC=C4)C)OC

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CC[NH+](C[C@@H]3C4=CC=CC=C4)C)OC

InChI

InChI=1S/C25H33N3O3/c1-26-13-11-21(12-14-26)31-23-10-9-20(17-24(23)30-3)25(29)28-16-15-27(2)18-22(28)19-7-5-4-6-8-19/h4-10,17,21-22H,11-16,18H2,1-3H3/p+2/t22-/m1/s1