4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c27-21(26(20-11-12-20)19-9-5-2-6-10-19)17-24-13-15-25(16-14-24)22(28)23-18-7-3-1-4-8-18/h1,3-4,7-9,20H,2,5-6,10-17H2,(H,23,28)/p+1