[4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone

Systemtic Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone Openeye Name: [4-(azepan-1-ium-1-yl)-1-piperidyl]-(3-chlorophenyl)methanone CAS Name: [4-(1-azepan-1-iumyl)-1-piperidinyl]-(3-chlorophenyl)methanone IUPAC Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone Traditional Name: [4-(azepan-1-ium-1-yl)piperidino]-(3-chlorophenyl)methanone Formula: C18H26ClN2O+ MolecularWeight: 321.86484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H25ClN2O/c19-16-7-5-6-15(14-16)18(22)21-12-8-17(9-13-21)20-10-3-1-2-4-11-20/h5-7,14,17H,1-4,8-13H2/p+1