4-chloranyl-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide

Systemtic Name: 4-chloranyl-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide Openeye Name: 4-chloro-N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]pyridine-2-carboxamide CAS Name: 4-chloro-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-pyridinecarboxamide IUPAC Name: 4-chloro-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]pyridine-2-carboxamide Traditional Name: 4-chloro-N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-picolinamide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-16-4-3-5-17(12-16)14-25-8-10-26(11-9-25)20(27)15-24(2)21(28)19-13-18(22)6-7-23-19/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1