2-[(3S)-3-methylpiperidin-1-yl]-N-phenethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]-N-phenethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[(3S)-3-methyl-1-piperidyl]-N-phenethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-[(3S)-3-methyl-1-piperidinyl]-N-phenethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-yl]-N-phenethylpyridin-1-ium-3-carboxamide Traditional Name: 2-[(3S)-3-methylpiperidino]-N-phenethyl-pyridin-1-ium-3-carboxamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=CC=[NH+]2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=CC=[NH+]2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-16-7-6-14-23(15-16)19-18(10-5-12-21-19)20(24)22-13-11-17-8-3-2-4-9-17/h2-5,8-10,12,16H,6-7,11,13-15H2,1H3,(H,22,24)/p+1/t16-/m0/s1