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

Systemtic Name: [4-(2-nitrophenyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [4-(2-nitrophenyl)-1-piperazinyl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [4-(2-nitrophenyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [4-(2-nitrophenyl)piperazino]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c28-23(20-10-8-19(9-11-20)18-24-12-4-1-5-13-24)26-16-14-25(15-17-26)21-6-2-3-7-22(21)27(29)30/h2-3,6-11H,1,4-5,12-18H2/p+1