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

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c24-19(22-8-6-21(7-9-22)12-14-5-10-27-13-14)15-1-4-17(20-16-2-3-16)18(11-15)23(25)26/h1,4-5,10-11,13,16,20H,2-3,6-9,12H2/p+1