1-[(4-dimethylaminophenyl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-4-isobutyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-dimethylaminophenyl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[4-(dimethylamino)benzyl]-4-isobutyl-1,4-diazepan-1-ium-5-one Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H29N3O/c1-15(2)13-21-12-11-20(10-9-18(21)22)14-16-5-7-17(8-6-16)19(3)4/h5-8,15H,9-14H2,1-4H3/p+1