2-azanyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]isonicotinamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-16(2)12-17-5-7-18(8-6-17)14-26-11-3-4-20(15-26)25-22(27)19-9-10-24-21(23)13-19/h5-10,13,16,20H,3-4,11-12,14-15H2,1-2H3,(H2,23,24)(H,25,27)/p+1/t20-/m0/s1