(3S)-N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-tetrahydropyran-4-yl-piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-(4-oxanyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]amine Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCC[NH+](C2)C3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)C3CCOCC3)OC

InChI

InChI=1S/C18H28N2O3/c1-21-17-6-5-14(12-18(17)22-2)19-15-4-3-9-20(13-15)16-7-10-23-11-8-16/h5-6,12,15-16,19H,3-4,7-11,13H2,1-2H3/p+1/t15-/m0/s1