3,4-dimethoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3,4-dimethoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: 3,4-dimethoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide Formula: C27H33N4O4+ MolecularWeight: 477.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(CNC(=O)C3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](CNC(=O)C3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-33-23-9-7-22(8-10-23)30-13-15-31(16-14-30)24(21-5-4-12-28-18-21)19-29-27(32)20-6-11-25(34-2)26(17-20)35-3/h4-12,17-18,24H,13-16,19H2,1-3H3,(H,29,32)/p+1/t24-/m1/s1