[4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[(1R,2R)-2-methylcyclohexyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@@H]1CCCC[C@H]1[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H28N2O/c1-17-7-2-5-12-21(17)23-13-15-24(16-14-23)22(25)20-11-6-9-18-8-3-4-10-19(18)20/h3-4,6,8-11,17,21H,2,5,7,12-16H2,1H3/p+1/t17-,21-/m1/s1