[4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[(3R)-3-methyl-1-piperidyl]-3-nitro-phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[(3R)-3-methyl-1-piperidinyl]-3-nitrophenyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(3R)-3-methylpiperidin-1-yl]-3-nitrophenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(3R)-3-methylpiperidino]-3-nitro-phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O3/c1-3-8-21-10-12-22(13-11-21)20(25)17-6-7-18(19(14-17)24(26)27)23-9-4-5-16(2)15-23/h6-7,14,16H,3-5,8-13,15H2,1-2H3/p+1/t16-/m1/s1