(3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(4-ethoxybenzyl)-3-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C24H33N5O3+2 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C24H31N5O3/c1-2-32-21-5-3-19(4-6-21)18-29-12-11-26-24(31)22(29)17-23(30)28-15-13-27(14-16-28)20-7-9-25-10-8-20/h3-10,22H,2,11-18H2,1H3,(H,26,31)/p+2/t22-/m1/s1