2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(3-ethynylphenyl)carbonylpiperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(3-ethynylphenyl)carbonylpiperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(3-ethynylbenzoyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(3-ethynylphenyl)-oxomethyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(3-ethynylbenzoyl)piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-(3-ethynylbenzoyl)-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C25H30N2O3/c1-5-19-8-6-9-21(16-19)25(28)27-14-7-10-22(18-27)26(2)15-13-20-11-12-23(29-3)24(17-20)30-4/h1,6,8-9,11-12,16-17,22H,7,10,13-15,18H2,2-4H3/p+1/t22-/m0/s1