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

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-3-pyridin-3-yl-propanamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-3-(3-pyridyl)propanamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-3-pyridin-3-ylpropanamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-3-(3-pyridyl)propionamide Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)CCC3=CN=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C24H33N3O/c1-19(2)15-20-7-9-22(10-8-20)17-27-14-4-6-23(18-27)26-24(28)12-11-21-5-3-13-25-16-21/h3,5,7-10,13,16,19,23H,4,6,11-12,14-15,17-18H2,1-2H3,(H,26,28)/p+1/t23-/m0/s1