(4-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-butylphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H25N3O/c1-2-3-6-17-8-10-18(11-9-17)20(24)23-15-13-22(14-16-23)19-7-4-5-12-21-19/h4-5,7-12H,2-3,6,13-16H2,1H3/p+1