N-ethyl-3-pyrrolidin-1-yl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N-ethyl-3-pyrrolidin-1-yl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine; 2,4,6-trinitrophenol Openeye Name: N-ethyl-3-pyrrolidin-1-yl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine; picric acid CAS Name: N-ethyl-3-(1-pyrrolidinyl)-N-[3-(1-pyrrolidinyl)propyl]-1-propanamine; 2,4,6-trinitrophenol IUPAC Name: N-ethyl-3-pyrrolidin-1-yl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine; 2,4,6-trinitrophenol Traditional Name: ethyl-bis(3-pyrrolidinopropyl)amine; picric acid Formula: C34H42N12O21 MolecularWeight: 954.76508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN1CCCC1)CCCN2CCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CCCN1CCCC1)CCCN2CCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H33N3.3C6H3N3O7/c1-2-17(13-7-15-18-9-3-4-10-18)14-8-16-19-11-5-6-12-19;3*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-16H2,1H3;3*1-2,10H