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

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-3-pyridin-4-yl-propanamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-3-(4-pyridyl)propanamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-3-pyridin-4-ylpropanamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-3-pyridin-4-ylpropanamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-3-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O/c1-19(2)16-21-5-7-22(8-6-21)17-27-15-3-4-23(18-27)26-24(28)10-9-20-11-13-25-14-12-20/h5-8,11-14,19,23H,3-4,9-10,15-18H2,1-2H3,(H,26,28)/p+1/t23-/m0/s1