(phenylmethyl) N-[6-oxidanylidene-6-(4-quinolin-1-ium-2-ylpiperazin-1-yl)hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-oxidanylidene-6-(4-quinolin-1-ium-2-ylpiperazin-1-yl)hexyl]carbamate Openeye Name: benzyl N-[6-oxo-6-(4-quinolin-1-ium-2-ylpiperazin-1-yl)hexyl]carbamate CAS Name: N-[6-oxo-6-[4-(2-quinolin-1-iumyl)-1-piperazinyl]hexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-oxo-6-(4-quinolin-1-ium-2-ylpiperazin-1-yl)hexyl]carbamate Traditional Name: N-[6-keto-6-(4-quinolin-1-ium-2-ylpiperazino)hexyl]carbamic acid benzyl ester Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)CCCCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)CCCCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c32-26(13-5-2-8-16-28-27(33)34-21-22-9-3-1-4-10-22)31-19-17-30(18-20-31)25-15-14-23-11-6-7-12-24(23)29-25/h1,3-4,6-7,9-12,14-15H,2,5,8,13,16-21H2,(H,28,33)/p+1