3-phenylpropyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium

Systemtic Name: 3-phenylpropyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: 3-phenylpropyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-(3-phenylpropyl)ammonium IUPAC Name: 3-phenylpropyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium Traditional Name: 3-phenylpropyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CCCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4/c1-25-18-14-17(15-19(26-2)20(18)27-3)21(24)23-13-12-22-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15,22H,7,10-13H2,1-3H3,(H,23,24)/p+1