[4-(cyclopropylamino)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3/c26-20(16-1-4-18(22-17-2-3-17)19(13-16)25(27)28)24-11-9-23(10-12-24)14-15-5-7-21-8-6-15/h1,4-8,13,17,22H,2-3,9-12,14H2/p+1