1-[[2-[3-(4-aminophenyl)propylamino]-3-methyl-4-oxidanyl-butyl]amino]-1,3-dimethyl-pyrimidin-1-ium-2,4-dione

Systemtic Name: 1-[[2-[3-(4-aminophenyl)propylamino]-3-methyl-4-oxidanyl-butyl]amino]-1,3-dimethyl-pyrimidin-1-ium-2,4-dione Openeye Name: 1-[[2-[3-(4-aminophenyl)propylamino]-4-hydroxy-3-methyl-butyl]amino]-1,3-dimethyl-pyrimidin-1-ium-2,4-dione CAS Name: 1-[[2-[3-(4-aminophenyl)propylamino]-4-hydroxy-3-methylbutyl]amino]-1,3-dimethylpyrimidin-1-ium-2,4-dione IUPAC Name: 1-[[2-[3-(4-aminophenyl)propylamino]-4-hydroxy-3-methylbutyl]amino]-1,3-dimethylpyrimidin-1-ium-2,4-dione Traditional Name: 1-[[2-[3-(4-aminophenyl)propylamino]-4-hydroxy-3-methyl-butyl]amino]-1,3-dimethyl-pyrimidin-1-ium-2,4-quinone Formula: C20H32N5O3+ MolecularWeight: 390.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(CN[N+]1(C=CC(=O)N(C1=O)C)C)NCCCC2=CC=C(C=C2)N

Isomeric SMILES

CC(CO)C(CN[N+]1(C=CC(=O)N(C1=O)C)C)NCCCC2=CC=C(C=C2)N

InChI

InChI=1S/C20H32N5O3/c1-15(14-26)18(22-11-4-5-16-6-8-17(21)9-7-16)13-23-25(3)12-10-19(27)24(2)20(25)28/h6-10,12,15,18,22-23,26H,4-5,11,13-14,21H2,1-3H3/q+1