1,1-dimethyl-3-[(1-methylindol-1-ium-1-yl)carbamoyl]-3-octan-3-yl-urea hydrochloride

Systemtic Name: 1,1-dimethyl-3-[(1-methylindol-1-ium-1-yl)carbamoyl]-3-octan-3-yl-urea hydrochloride Openeye Name: 1-(1-ethylhexyl)-3,3-dimethyl-1-[(1-methylindol-1-ium-1-yl)carbamoyl]urea hydrochloride CAS Name: 1,1-dimethyl-3-[[(1-methyl-1-indol-1-iumyl)amino]-oxomethyl]-3-octan-3-ylurea hydrochloride IUPAC Name: 1,1-dimethyl-3-[(1-methylindol-1-ium-1-yl)carbamoyl]-3-octan-3-ylurea hydrochloride Traditional Name: 1-(1-ethylhexyl)-3,3-dimethyl-1-[(1-methylindol-1-ium-1-yl)carbamoyl]urea hydrochloride Formula: C21H34ClN4O2+ MolecularWeight: 409.97326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N(C(=O)N[N+]1(C=CC2=CC=CC=C21)C)C(=O)N(C)C.Cl

Isomeric SMILES

CCCCCC(CC)N(C(=O)N[N+]1(C=CC2=CC=CC=C21)C)C(=O)N(C)C.Cl

InChI

InChI=1S/C21H32N4O2.ClH/c1-6-8-9-13-18(7-2)24(21(27)23(3)4)20(26)22-25(5)16-15-17-12-10-11-14-19(17)25;/h10-12,14-16,18H,6-9,13H2,1-5H3;1H/p+1