5-chloranyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6-dimethyl-coumarilamide Formula: C25H30ClN2O3+ MolecularWeight: 441.9703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C)Cl

InChI

InChI=1S/C25H29ClN2O3/c1-16-13-23-20(14-21(16)26)17(2)24(31-23)25(29)27-15-22(28-11-5-4-6-12-28)18-7-9-19(30-3)10-8-18/h7-10,13-14,22H,4-6,11-12,15H2,1-3H3,(H,27,29)/p+1/t22-/m1/s1