(3,4-dimethoxyphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-(5-quinoxalinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=C4C(=CC=C3)N=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)N=CC=N4)OC

InChI

InChI=1S/C23H25N3O3/c1-28-20-9-8-16(13-21(20)29-2)23(27)18-6-4-12-26(15-18)14-17-5-3-7-19-22(17)25-11-10-24-19/h3,5,7-11,13,18H,4,6,12,14-15H2,1-2H3/p+1/t18-/m0/s1