[1-(2-nitrophenyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(2-nitrophenyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-(2-nitrophenyl)-4-piperidyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(2-nitrophenyl)-4-piperidinyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [1-(2-nitrophenyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-(2-nitrophenyl)-4-piperidyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c28-22(26-15-13-24(14-16-26)17-18-5-9-23-10-6-18)19-7-11-25(12-8-19)20-3-1-2-4-21(20)27(29)30/h1-6,9-10,19H,7-8,11-17H2/p+1