1-[[4-(2-methylpropyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[4-(2-methylpropyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(4-isobutylphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[4-(2-methylpropyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[4-(2-methylpropyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-(4-isobutylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC(=O)N(CC2)CC=C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC(=O)N(CC2)CC=C

InChI

InChI=1S/C19H28N2O/c1-4-10-21-13-12-20(11-9-19(21)22)15-18-7-5-17(6-8-18)14-16(2)3/h4-8,16H,1,9-15H2,2-3H3/p+1