(1S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]cyclohex-3-ene-1-carboxamide Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCC=CC3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)[C@H]3CCC=CC3)C

InChI

InChI=1S/C20H29N3O/c1-3-22-11-13-23(14-12-22)19-10-9-18(15-16(19)2)21-20(24)17-7-5-4-6-8-17/h4-5,9-10,15,17H,3,6-8,11-14H2,1-2H3,(H,21,24)/p+1/t17-/m1/s1