N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-o-toluoyl-isonipecotamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4C)C

InChI

InChI=1S/C27H36N4O2/c1-4-29-15-17-30(18-16-29)25-10-9-23(19-21(25)3)28-26(32)22-11-13-31(14-12-22)27(33)24-8-6-5-7-20(24)2/h5-10,19,22H,4,11-18H2,1-3H3,(H,28,32)/p+1