[3-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[allyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-3-oxopropyl]ammonium IUPAC Name: [3-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-3-oxopropyl]azanium Traditional Name: [3-[allyl(veratryl)amino]-3-keto-propyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC=C)C(=O)CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC=C)C(=O)CC[NH3+])OC

InChI

InChI=1S/C15H22N2O3/c1-4-9-17(15(18)7-8-16)11-12-5-6-13(19-2)14(10-12)20-3/h4-6,10H,1,7-9,11,16H2,2-3H3/p+1