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

Systemtic Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea CAS Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C18H28N5O4+ MolecularWeight: 378.44602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)NC2CC(=O)N(C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)N[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H27N5O4/c1-21-6-8-22(9-7-21)20-18(25)19-13-10-17(24)23(12-13)14-4-5-15(26-2)16(11-14)27-3/h4-5,11,13H,6-10,12H2,1-3H3,(H2,19,20,25)/p+1/t13-/m0/s1