(3S)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(4-methyl-1-piperidyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(4-methyl-1-piperidinyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(4-methylpiperidino)phenyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCC[NH2+]C3

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C18H27N3O/c1-14-8-11-21(12-9-14)17-6-4-16(5-7-17)20-18(22)15-3-2-10-19-13-15/h4-7,14-15,19H,2-3,8-13H2,1H3,(H,20,22)/p+1/t15-/m0/s1