3-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-ammonium Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C18H28N4O3/c1-4-25-16-8-6-15(7-9-16)22-13-14(12-17(22)23)20-18(24)19-10-5-11-21(2)3/h6-9,14H,4-5,10-13H2,1-3H3,(H2,19,20,24)/p+1/t14-/m0/s1