1-(azepan-1-yl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanone CAS Name: 1-(1-azepanyl)-2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]ethanone Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCCN(CC1)C(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H28N4O3/c24-18(22-9-5-1-2-6-10-22)15-26-16-19(25)23-13-11-21(12-14-23)17-7-3-4-8-20-17/h3-4,7-8H,1-2,5-6,9-16H2/p+1