4-[(2-chlorophenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-chlorobenzyl)-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one Formula: C18H26ClN2O+ MolecularWeight: 321.86484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC[NH+]1CCC(=O)N(CC1)CC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)/C=C/C[NH+]1CCC(=O)N(CC1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C18H25ClN2O/c1-15(2)6-5-10-20-11-9-18(22)21(13-12-20)14-16-7-3-4-8-17(16)19/h3-8,15H,9-14H2,1-2H3/p+1/b6-5+