[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-tributyl-azanium

Systemtic Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-tributyl-azanium Openeye Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-tributyl-ammonium CAS Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-tributylammonium IUPAC Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-tributylazanium Traditional Name: tributyl-[[3,5-dicarbethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl]ammonium Formula: C31H48N3O6+ MolecularWeight: 558.72932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C31H47N3O6/c1-7-12-18-34(19-13-8-2,20-14-9-3)22-26-29(31(36)40-11-5)28(24-16-15-17-25(21-24)33(37)38)27(23(6)32-26)30(35)39-10-4/h15-17,21,28H,7-14,18-20,22H2,1-6H3/p+1