[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]-(3-pyridylmethyl)ammonium CAS Name: [(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]-(3-pyridylmethyl)ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]CC1=CN=CC=C1)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC(C)[C@H](CC[NH2+]CC1=CN=CC=C1)C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C21H30N2O/c1-16(2)21(11-13-23-15-18-6-5-12-22-14-18)19-7-9-20(10-8-19)24-17(3)4/h5-10,12,14,16-17,21,23H,11,13,15H2,1-4H3/p+1/t21-/m0/s1