1-(3-methylphenyl)-3-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]urea Openeye Name: 1-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[(1R,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]urea Traditional Name: 1-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-(m-tolyl)urea Formula: C20H30N4OS+2 MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C)C(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@H](C)[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4OS/c1-15-6-4-7-17(14-15)22-20(25)21-16(2)19(18-8-5-13-26-18)24-11-9-23(3)10-12-24/h4-8,13-14,16,19H,9-12H2,1-3H3,(H2,21,22,25)/p+2/t16-,19-/m1/s1