(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperidin-1-ium-3-carboxamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H26N2O2/c1-13(19-11-3-4-15(12-19)17(18)20)5-6-14-7-9-16(21-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,18,20)/p+1/t13-,15+/m0/s1