N-(4-methoxyphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-(4-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C19H28N4O3/c1-26-17-7-5-16(6-8-17)20-19(25)23-12-4-9-21(13-14-23)15-18(24)22-10-2-3-11-22/h5-8H,2-4,9-15H2,1H3,(H,20,25)/p+1