[(1R)-2,2-bis(3-methylphenyl)cyclopropyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(1R)-2,2-bis(3-methylphenyl)cyclopropyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(1R)-2,2-bis(m-tolyl)cyclopropyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(1R)-2,2-bis(3-methylphenyl)cyclopropyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(1R)-2,2-bis(3-methylphenyl)cyclopropyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(1R)-2,2-bis(m-tolyl)cyclopropyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CC2C(=O)N3CC[NH+](CC3)C)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2(C[C@H]2C(=O)N3CC[NH+](CC3)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C23H28N2O/c1-17-6-4-8-19(14-17)23(20-9-5-7-18(2)15-20)16-21(23)22(26)25-12-10-24(3)11-13-25/h4-9,14-15,21H,10-13,16H2,1-3H3/p+1/t21-/m0/s1