[(3S)-1-[2-(cyclohexen-1-yl)ethanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[2-(cyclohexen-1-yl)ethanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[2-(cyclohexen-1-yl)acetyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[2-(1-cyclohexenyl)-1-oxoethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[2-(cyclohexen-1-yl)acetyl]-3-piperidyl]-methyl-ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CC3=CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CC3=CCCCC3

InChI

InChI=1S/C21H30N2O/c1-22(16-19-11-6-3-7-12-19)20-13-8-14-23(17-20)21(24)15-18-9-4-2-5-10-18/h3,6-7,9,11-12,20H,2,4-5,8,10,13-17H2,1H3/p+1/t20-/m0/s1