N-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-4-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H26N4O3/c1-3-25-16-6-4-15(5-7-16)22-13-14(12-17(22)23)19-18(24)21-10-8-20(2)9-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,24)/p+1/t14-/m0/s1