(phenylmethyl) N-[4-(5-oxidanylidene-5-piperidin-1-yl-pentanoyl)-1-pyridin-4-yl-piperazin-1-ium-1-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-(5-oxidanylidene-5-piperidin-1-yl-pentanoyl)-1-pyridin-4-yl-piperazin-1-ium-1-yl]carbamate Openeye Name: benzyl N-[4-[5-oxo-5-(1-piperidyl)pentanoyl]-1-(4-pyridyl)piperazin-1-ium-1-yl]carbamate CAS Name: N-[4-[1,5-dioxo-5-(1-piperidinyl)pentyl]-1-pyridin-4-yl-1-piperazin-1-iumyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-(5-oxo-5-piperidin-1-ylpentanoyl)-1-pyridin-4-ylpiperazin-1-ium-1-yl]carbamate Traditional Name: N-[4-(5-keto-5-piperidino-pentanoyl)-1-(4-pyridyl)piperazin-1-ium-1-yl]carbamic acid benzyl ester Formula: C27H36N5O4+ MolecularWeight: 494.60584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCC(=O)N2CC[N+](CC2)(C3=CC=NC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CCCC(=O)N2CC[N+](CC2)(C3=CC=NC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O4/c33-25(30-16-5-2-6-17-30)10-7-11-26(34)31-18-20-32(21-19-31,24-12-14-28-15-13-24)29-27(35)36-22-23-8-3-1-4-9-23/h1,3-4,8-9,12-15H,2,5-7,10-11,16-22H2/p+1