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

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-1-phenyl-cyclopropanecarboxamide Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)NC(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)NC(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H31N3O/c1-23-14-9-19(10-15-23)24-13-5-8-18(16-24)22-20(25)21(11-12-21)17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,22,25)/p+1/t18-/m0/s1