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

Systemtic Name: 3,4-dimethoxy-N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3,4-dimethoxy-N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: 3,4-dimethoxy-N-[(2S)-2-[4-(2-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=C(C=C(C=C1)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)OC

InChI

InChI=1S/C27H32N4O4/c1-33-24-9-5-4-8-22(24)30-13-15-31(16-14-30)23(21-7-6-12-28-18-21)19-29-27(32)20-10-11-25(34-2)26(17-20)35-3/h4-12,17-18,23H,13-16,19H2,1-3H3,(H,29,32)/p+1/t23-/m1/s1