[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [4-[2-cyanoethyl(ethyl)amino]-2-methyl-benzyl]-(4-hydroxycyclohexyl)ammonium Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)C[NH2+]C2CCC(CC2)O)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)C[NH2+]C2CCC(CC2)O)C

InChI

InChI=1S/C19H29N3O/c1-3-22(12-4-11-20)18-8-5-16(15(2)13-18)14-21-17-6-9-19(23)10-7-17/h5,8,13,17,19,21,23H,3-4,6-7,9-10,12,14H2,1-2H3/p+1