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

Systemtic Name: 4-(cyclopropylmethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[(E)-3-(4-methoxyphenyl)allyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclopropylmethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclopropylmethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-[(E)-3-(4-methoxyphenyl)allyl]-1,4-diazepan-1-ium-5-one Formula: C19H27N2O2+ MolecularWeight: 315.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCC(=O)N(CC2)CC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC(=O)N(CC2)CC3CC3

InChI

InChI=1S/C19H26N2O2/c1-23-18-8-6-16(7-9-18)3-2-11-20-12-10-19(22)21(14-13-20)15-17-4-5-17/h2-3,6-9,17H,4-5,10-15H2,1H3/p+1/b3-2+