(3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C26H34FN4O2+ MolecularWeight: 453.572163

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H33FN4O2/c1-3-29-13-15-30(16-14-29)24-11-10-23(17-19(24)2)28-25(32)21-5-4-12-31(18-21)26(33)20-6-8-22(27)9-7-20/h6-11,17,21H,3-5,12-16,18H2,1-2H3,(H,28,32)/p+1/t21-/m0/s1