[4-(2-methylpropoxy)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(2-methylpropoxy)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-isobutoxyphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(2-methylpropoxy)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(2-methylpropoxy)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-isobutoxyphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O2/c1-17(2)16-26-20-5-3-19(4-6-20)21(25)24-13-11-23(12-14-24)15-18-7-9-22-10-8-18/h3-10,17H,11-16H2,1-2H3/p+1