4-acetamido-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-acetamido-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-acetamido-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-acetamido-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-acetamido-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-acetamido-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C23H29N3O3/c1-17(27)25-20-10-6-19(7-11-20)23(28)24-16-22(26-14-4-3-5-15-26)18-8-12-21(29-2)13-9-18/h6-13,22H,3-5,14-16H2,1-2H3,(H,24,28)(H,25,27)/p+1/t22-/m1/s1