6-azanyl-5-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C21H30N5O4+ MolecularWeight: 416.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)N

InChI

InChI=1S/C21H29N5O4/c1-4-8-26-19(22)18(20(28)23(2)21(26)29)17(27)14-24-9-11-25(12-10-24)15-6-5-7-16(13-15)30-3/h5-7,13H,4,8-12,14,22H2,1-3H3/p+1