copper; (2-hydroxyphenyl)carbonyloxidanium; 3-(1-methylpyrrolidin-2-yl)pyridine; 2-oxidanylbenzoic acid

Systemtic Name: copper; (2-hydroxyphenyl)carbonyloxidanium; 3-(1-methylpyrrolidin-2-yl)pyridine; 2-oxidanylbenzoic acid Openeye Name: copper; 2-hydroxybenzoic acid; (2-hydroxybenzoyl)oxonium; 3-(1-methylpyrrolidin-2-yl)pyridine CAS Name: copper; 2-hydroxybenzoic acid; [(2-hydroxyphenyl)-oxomethyl]oxonium; 3-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: copper; 2-hydroxybenzoic acid; (2-hydroxybenzoyl)oxidanium; 3-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: cupric; nicotine; salicylic acid; salicyloyloxonium Formula: C38H41CuN2O12+5 MolecularWeight: 781.28434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)[OH2+])O.C1=CC=C(C(=C1)C(=O)[OH2+])O.C1=CC=C(C(=C1)C(=O)[OH2+])O.C1=CC=C(C(=C1)C(=O)O)O.[Cu+2]

Isomeric SMILES

CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)[OH2+])O.C1=CC=C(C(=C1)C(=O)[OH2+])O.C1=CC=C(C(=C1)C(=O)[OH2+])O.C1=CC=C(C(=C1)C(=O)O)O.[Cu+2]

InChI

InChI=1S/C10H14N2.4C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;4*1-4,8H,(H,9,10);/q;;;;;+2/p+3