N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-isopropoxy-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-isopropoxy-benzamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCCC3

InChI

InChI=1S/C25H34N2O3/c1-19(2)30-23-14-10-21(11-15-23)25(28)26-18-24(27-16-6-4-5-7-17-27)20-8-12-22(29-3)13-9-20/h8-15,19,24H,4-7,16-18H2,1-3H3,(H,26,28)/p+1/t24-/m0/s1