methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C22H32N4O+2 MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-18(2)20-9-7-19(8-10-20)16-24(3)17-22(27)26-14-12-25(13-15-26)21-6-4-5-11-23-21/h4-11,18H,12-17H2,1-3H3/p+2