2-chloranyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H29ClN4O/c1-18(2)20-9-7-19(8-10-20)17-29-15-12-21(13-16-29)30-24(11-14-27-30)28-25(31)22-5-3-4-6-23(22)26/h3-11,14,18,21H,12-13,15-17H2,1-2H3,(H,28,31)/p+1