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

Systemtic Name: 3-methoxy-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-3-methoxy-propanamide CAS Name: 3-methoxy-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-methoxy-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-3-methoxy-propionamide Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2/c1-16(2)13-17-6-8-18(9-7-17)14-22-11-4-5-19(15-22)21-20(23)10-12-24-3/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,21,23)/p+1/t19-/m0/s1