(3S)-N-butyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide

Systemtic Name: (3S)-N-butyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide Openeye Name: (3S)-N-butyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide CAS Name: (3S)-N-butyl-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-butyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide Traditional Name: (3S)-N-butyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H34N4O2/c1-3-4-11-22-21(26)25-12-5-6-19(17-25)24-15-13-23(14-16-24)18-7-9-20(27-2)10-8-18/h7-10,19H,3-6,11-17H2,1-2H3,(H,22,26)/p+1/t19-/m0/s1