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

Systemtic Name: 1-[(3S)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-[(3S)-1-(4-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea CAS Name: 1-[(3S)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-[(3S)-5-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C17H26N5O3+ MolecularWeight: 348.42004

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3/c1-20-7-9-21(10-8-20)19-17(24)18-13-11-16(23)22(12-13)14-3-5-15(25-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,18,19,24)/p+1/t13-/m0/s1