(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[2-(1-cyclohexenyl)ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O/c1-18(21(25)22-13-12-19-8-4-2-5-9-19)23-14-16-24(17-15-23)20-10-6-3-7-11-20/h3,6-8,10-11,18H,2,4-5,9,12-17H2,1H3,(H,22,25)/p+1/t18-/m1/s1