4-[(2-chlorophenyl)methyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(2-chlorophenyl)methyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-chlorophenyl)methyl]-1-[[(1S)-1-cyclohex-3-enyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-chlorobenzyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,4-diazepan-1-ium-5-one Formula: C19H26ClN2O+ MolecularWeight: 333.87554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H25ClN2O/c20-18-9-5-4-8-17(18)15-22-13-12-21(11-10-19(22)23)14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16H,3,6-7,10-15H2/p+1/t16-/m1/s1