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

Systemtic Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[(2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzamide Formula: C26H30FN4O3+ MolecularWeight: 465.539803

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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=C(C=C4)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN4O3/c1-33-24-10-5-19(16-25(24)34-2)26(32)29-18-23(20-4-3-11-28-17-20)31-14-12-30(13-15-31)22-8-6-21(27)7-9-22/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,29,32)/p+1/t23-/m1/s1