(1S)-2-(azocan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(2-methoxy-5-methylphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethyl]amine Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C17H28N2O/c1-14-8-9-17(20-2)15(12-14)16(18)13-19-10-6-4-3-5-7-11-19/h8-9,12,16H,3-7,10-11,13,18H2,1-2H3/p+1/t16-/m1/s1