1-(4-nitrophenyl)-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(O1)(C)C#CC[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]1(CCCC(O1)(C)C)C#CC[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O3/c1-20(2)10-4-11-21(3,27-20)12-5-13-22-14-16-23(17-15-22)18-6-8-19(9-7-18)24(25)26/h6-9H,4,10-11,13-17H2,1-3H3/p+1/t21-/m1/s1