6-azanyl-1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-methyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-methyl-pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-3-methylpyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-3-methyl-pyrimidine-2,4-quinone Formula: C21H31ClN5O2+ MolecularWeight: 420.95614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N(C1=O)C)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)N(C1=O)C)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H30ClN5O2/c1-3-4-9-27-19(23)18(20(28)24(2)21(27)29)15-26-12-10-25(11-13-26)14-16-5-7-17(22)8-6-16/h5-8H,3-4,9-15,23H2,1-2H3/p+1