4-[(2-chlorophenyl)methyl]-1-(1-ethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1-(1-ethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one Openeye Name: 4-[(2-chlorophenyl)methyl]-1-(1-ethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one CAS Name: 4-[(2-chlorophenyl)methyl]-1-(1-ethyl-4-piperidin-1-iumyl)-1,4-diazepan-5-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-1-(1-ethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one Traditional Name: 4-(2-chlorobenzyl)-1-(1-ethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one Formula: C19H29ClN3O+ MolecularWeight: 350.90606

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCC(=O)N(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC(=O)N(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H28ClN3O/c1-2-21-10-7-17(8-11-21)22-12-9-19(24)23(14-13-22)15-16-5-3-4-6-18(16)20/h3-6,17H,2,7-15H2,1H3/p+1