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

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-2-pyridin-3-yl-ethanamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-2-(3-pyridyl)acetamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-2-pyridin-3-ylacetamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-2-(3-pyridyl)acetamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)CC3=CN=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)CC3=CN=CC=C3

InChI

InChI=1S/C23H31N3O/c1-18(2)13-19-7-9-20(10-8-19)16-26-12-4-6-22(17-26)25-23(27)14-21-5-3-11-24-15-21/h3,5,7-11,15,18,22H,4,6,12-14,16-17H2,1-2H3,(H,25,27)/p+1/t22-/m0/s1