N,6-dimethyl-N-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxamide

Systemtic Name: N,6-dimethyl-N-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxamide Openeye Name: N,6-dimethyl-N-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxamide CAS Name: N,6-dimethyl-N-phenyl-2-(1-piperazin-4-iumyl)-4-pyrimidinecarboxamide IUPAC Name: N,6-dimethyl-N-phenyl-2-piperazin-4-ium-1-ylpyrimidine-4-carboxamide Traditional Name: N,6-dimethyl-N-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxamide Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N(C)C2=CC=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N(C)C2=CC=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C17H21N5O/c1-13-12-15(16(23)21(2)14-6-4-3-5-7-14)20-17(19-13)22-10-8-18-9-11-22/h3-7,12,18H,8-11H2,1-2H3/p+1