N-(4-propan-2-ylphenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-isopropylphenyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-propan-2-ylphenyl)-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-p-cumenyl-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H26N4O/c1-16(2)17-6-8-18(9-7-17)22-20(25)24-13-11-23(12-14-24)15-19-5-3-4-10-21-19/h3-10,16H,11-15H2,1-2H3,(H,22,25)/p+1