[(3S)-3-(4-methoxyphenyl)-4-methyl-pentyl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: [(3S)-3-(4-methoxyphenyl)-4-methyl-pentyl]-[(1S)-1-phenylethyl]azanium Openeye Name: [(3S)-3-(4-methoxyphenyl)-4-methyl-pentyl]-[(1S)-1-phenylethyl]ammonium CAS Name: [(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-[(1S)-1-phenylethyl]azanium Traditional Name: [(3S)-3-(4-methoxyphenyl)-4-methyl-pentyl]-[(1S)-1-phenylethyl]ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]C(C)C1=CC=CC=C1)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]CC[C@H](C2=CC=C(C=C2)OC)C(C)C

InChI

InChI=1S/C21H29NO/c1-16(2)21(19-10-12-20(23-4)13-11-19)14-15-22-17(3)18-8-6-5-7-9-18/h5-13,16-17,21-22H,14-15H2,1-4H3/p+1/t17-,21-/m0/s1