1-[3-(dimethylaminomethyl)piperidin-1-yl]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol

Systemtic Name: 1-[3-(dimethylaminomethyl)piperidin-1-yl]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol Openeye Name: 1-[3-(dimethylaminomethyl)-1-piperidyl]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol CAS Name: 1-[3-(dimethylaminomethyl)-1-piperidinyl]-3-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-2-propanol IUPAC Name: 1-[3-(dimethylaminomethyl)piperidin-1-yl]-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol Traditional Name: 1-[3-(dimethylaminomethyl)piperidino]-3-(5-nitro-2-pyrrolidino-phenoxy)propan-2-ol Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCN(C1)CC(COC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)O

Isomeric SMILES

CN(C)CC1CCCN(C1)CC(COC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)O

InChI

InChI=1S/C21H34N4O4/c1-22(2)13-17-6-5-9-23(14-17)15-19(26)16-29-21-12-18(25(27)28)7-8-20(21)24-10-3-4-11-24/h7-8,12,17,19,26H,3-6,9-11,13-16H2,1-2H3