4-[(3-methoxyphenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-m-anisyl-1-[(E)-4-methylpent-2-enyl]-1,4-diazepan-1-ium-5-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC[NH+]1CCC(=O)N(CC1)CC2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)/C=C/C[NH+]1CCC(=O)N(CC1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C19H28N2O2/c1-16(2)6-5-10-20-11-9-19(22)21(13-12-20)15-17-7-4-8-18(14-17)23-3/h4-8,14,16H,9-13,15H2,1-3H3/p+1/b6-5+