(3S)-N-(3,4-dimethoxyphenyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H28N4O2/c1-4-23-11-9-20-19(23)14-22-10-5-6-16(13-22)21-15-7-8-17(24-2)18(12-15)25-3/h7-9,11-12,16,21H,4-6,10,13-14H2,1-3H3/p+1/t16-/m0/s1