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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-3-methyl-5-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-5-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-3-methyl-5-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C19H28N5O3+ MolecularWeight: 374.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCCC2C3=CC=CN3C)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC[C@@H]2C3=CC=CN3C)N

InChI

InChI=1S/C19H27N5O3/c1-4-9-24-17(20)16(18(26)22(3)19(24)27)15(25)12-23-11-6-8-14(23)13-7-5-10-21(13)2/h5,7,10,14H,4,6,8-9,11-12,20H2,1-3H3/p+1/t14-/m1/s1