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

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-3-pyrazin-2-yl-propanamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-3-pyrazin-2-yl-propanamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-3-(2-pyrazinyl)propanamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-3-pyrazin-2-ylpropanamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-3-pyrazin-2-yl-propionamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O/c1-18(2)14-19-5-7-20(8-6-19)16-27-13-3-4-22(17-27)26-23(28)10-9-21-15-24-11-12-25-21/h5-8,11-12,15,18,22H,3-4,9-10,13-14,16-17H2,1-2H3,(H,26,28)/p+1/t22-/m0/s1