4-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-chlorobenzyl)-1-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Formula: C16H22ClN2O+ MolecularWeight: 293.81168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC1C[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H21ClN2O/c17-15-3-1-2-14(10-15)12-19-9-8-18(7-6-16(19)20)11-13-4-5-13/h1-3,10,13H,4-9,11-12H2/p+1