5-nitro-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole; phosphoric acid

Systemtic Name: 5-nitro-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole; phosphoric acid Openeye Name: 3-(1-isopropyl-4-piperidyl)-5-nitro-1H-indole; phosphoric acid CAS Name: 5-nitro-3-(1-propan-2-yl-4-piperidinyl)-1H-indole; phosphoric acid IUPAC Name: 5-nitro-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole; phosphoric acid Traditional Name: 3-(1-isopropyl-4-piperidyl)-5-nitro-1H-indole; phosphoric acid Formula: C16H24N3O6P MolecularWeight: 385.352021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-].OP(=O)(O)O

Isomeric SMILES

CC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-].OP(=O)(O)O

InChI

InChI=1S/C16H21N3O2.H3O4P/c1-11(2)18-7-5-12(6-8-18)15-10-17-16-4-3-13(19(20)21)9-14(15)16;1-5(2,3)4/h3-4,9-12,17H,5-8H2,1-2H3;(H3,1,2,3,4)