(3S)-1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[1-cyclopentenyl(ethyl)amino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[cyclopenten-1-yl(ethyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCC1)C(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CCCC1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-2-24(19-12-6-7-13-19)20(25)16-23-14-8-9-17(15-23)21(26)22-18-10-4-3-5-11-18/h3-5,10-12,17H,2,6-9,13-16H2,1H3,(H,22,26)/p+1/t17-/m0/s1