1-(3-methylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-3-yl-ethyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-3-yl-ethyl]urea Openeye Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-thienyl)ethyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-3-ylethyl]urea Traditional Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-thienyl)ethyl]-3-(m-tolyl)urea Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(C2=CSC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC[C@@H](C2=CSC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H26N4OS/c1-15-4-3-5-17(12-15)21-19(24)20-13-18(16-6-11-25-14-16)23-9-7-22(2)8-10-23/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,20,21,24)/p+1/t18-/m0/s1