1-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea

Systemtic Name: 1-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea CAS Name: 1-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C18H28N5O3+ MolecularWeight: 362.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NN3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NN3CC[NH+](CC3)C

InChI

InChI=1S/C18H27N5O3/c1-3-26-16-6-4-15(5-7-16)23-13-14(12-17(23)24)19-18(25)20-22-10-8-21(2)9-11-22/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,25)/p+1/t14-/m0/s1