[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[(1R,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H28N2O/c1-17-6-4-9-19(16-17)23-12-14-24(15-13-23)22(25)21-11-5-8-18-7-2-3-10-20(18)21/h2-3,5,7-8,10-11,17,19H,4,6,9,12-16H2,1H3/p+1/t17-,19+/m0/s1