(3S,6S)-6-methyl-N-[3-[methyl(phenyl)amino]propyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-6-methyl-N-[3-[methyl(phenyl)amino]propyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-6-methyl-N-[3-(N-methylanilino)propyl]piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-6-methyl-N-[3-(N-methylanilino)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-6-methyl-N-[3-(N-methylanilino)propyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-6-methyl-N-[3-(N-methylanilino)propyl]piperidin-1-ium-3-carboxamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NCCCN(C)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NCCCN(C)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-14-9-10-15(13-19-14)17(21)18-11-6-12-20(2)16-7-4-3-5-8-16/h3-5,7-8,14-15,19H,6,9-13H2,1-2H3,(H,18,21)/p+1/t14-,15-/m0/s1