(4-butoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: (4-butoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: (4-butoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: (4-butoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: (4-butoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: (4-butoxybenzyl)-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C19H32NO+ MolecularWeight: 290.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH2+]C2CCCC(C2C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH2+][C@H]2CCC[C@@H]([C@@H]2C)C

InChI

InChI=1S/C19H31NO/c1-4-5-13-21-18-11-9-17(10-12-18)14-20-19-8-6-7-15(2)16(19)3/h9-12,15-16,19-20H,4-8,13-14H2,1-3H3/p+1/t15-,16-,19-/m0/s1