[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(4-methyl-1-piperidyl)-5-nitro-phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(4-methylpiperidin-1-yl)-5-nitrophenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(4-methylpiperidino)-5-nitro-phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H30N5O3+ MolecularWeight: 424.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H29N5O3/c1-18-6-10-26(11-7-18)22-3-2-20(28(30)31)16-21(22)23(29)27-14-12-25(13-15-27)17-19-4-8-24-9-5-19/h2-5,8-9,16,18H,6-7,10-15,17H2,1H3/p+1