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

Systemtic Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea CAS Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-[(3S)-5-keto-1-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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