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

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-p-anisyl-ammonium Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CC4

InChI

InChI=1S/C22H28N4O2/c1-28-20-9-5-18(6-10-20)16-26(19-7-8-19)17-22(27)25-14-12-24(13-15-25)21-4-2-3-11-23-21/h2-6,9-11,19H,7-8,12-17H2,1H3/p+2