(1R,3R)-3-azanyl-1-(3-cyclopentyloxy-4-methoxy-phenyl)-N-methyl-cyclohexane-1-carbonitrilium

Systemtic Name: (1R,3R)-3-azanyl-1-(3-cyclopentyloxy-4-methoxy-phenyl)-N-methyl-cyclohexane-1-carbonitrilium Openeye Name: (1R,3R)-3-amino-1-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-methyl-cyclohexanecarbonitrilium CAS Name: (1R,3R)-3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-methyl-1-cyclohexanecarbonitrilium IUPAC Name: (1R,3R)-3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-methylcyclohexane-1-carbonitrilium Traditional Name: (1R,3R)-3-amino-1-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-methyl-cyclohexanecarbonitrilium Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]#CC1(CCCC(C1)N)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

C[N+]#C[C@@]1(CCC[C@H](C1)N)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C20H29N2O2/c1-22-14-20(11-5-6-16(21)13-20)15-9-10-18(23-2)19(12-15)24-17-7-3-4-8-17/h9-10,12,16-17H,3-8,11,13,21H2,1-2H3/q+1/t16-,20+/m1/s1