(6-chloranylpyridin-3-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranylpyridin-3-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (6-chloro-3-pyridyl)-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (6-chloro-3-pyridinyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloropyridin-3-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (6-chloro-3-pyridyl)-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O/c1-15(2)17-5-3-16(4-6-17)14-23-9-11-24(12-10-23)20(25)18-7-8-19(21)22-13-18/h3-8,13,15H,9-12,14H2,1-2H3/p+1