N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]pent-4-enamide

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]pent-4-enamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]pent-4-enamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-4-pentenamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]pent-4-enamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]pent-4-enamide Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)CCC=C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)CCC=C

InChI

InChI=1S/C21H32N2O/c1-4-5-8-21(24)22-20-7-6-13-23(16-20)15-19-11-9-18(10-12-19)14-17(2)3/h4,9-12,17,20H,1,5-8,13-16H2,2-3H3,(H,22,24)/p+1/t20-/m0/s1