[(2R)-2-[(phenylmethyl)-propan-2-yl-amino]-2-(4-propoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[(phenylmethyl)-propan-2-yl-amino]-2-(4-propoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-[benzyl(isopropyl)amino]-2-(4-propoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-[(phenylmethyl)-propan-2-ylamino]-2-(4-propoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[benzyl(propan-2-yl)amino]-2-(4-propoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-[benzyl(isopropyl)amino]-2-(4-propoxyphenyl)ethyl]ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C[NH3+])N(CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](C[NH3+])N(CC2=CC=CC=C2)C(C)C

InChI

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