[(3S)-3-methylpiperidin-1-yl]-[1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[1-[(2R)-2-phenylpropyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Traditional Name: [(3S)-3-methylpiperidino]-[1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC(C)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H32N2O/c1-17-7-6-12-23(15-17)21(24)20-10-13-22(14-11-20)16-18(2)19-8-4-3-5-9-19/h3-5,8-9,17-18,20H,6-7,10-16H2,1-2H3/p+1/t17-,18-/m0/s1