[4-(cyclopropylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C19H22N5O3+ MolecularWeight: 368.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3/c25-19(23-11-9-22(10-12-23)18-3-1-2-8-20-18)14-4-7-16(21-15-5-6-15)17(13-14)24(26)27/h1-4,7-8,13,15,21H,5-6,9-12H2/p+1