(1-ethoxycarbonylpiperidin-4-yl)-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]azanium

Systemtic Name: (1-ethoxycarbonylpiperidin-4-yl)-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]azanium Openeye Name: (1-ethoxycarbonyl-4-piperidyl)-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]ammonium CAS Name: (1-ethoxycarbonyl-4-piperidinyl)-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-4-azepanyl]ammonium IUPAC Name: (1-ethoxycarbonylpiperidin-4-yl)-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxoazepan-4-yl]azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[(4R)-7-keto-1-p-anisyl-azepan-4-yl]ammonium Formula: C22H34N3O4+ MolecularWeight: 404.52306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]C2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+][C@@H]2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H33N3O4/c1-3-29-22(27)24-13-10-19(11-14-24)23-18-6-9-21(26)25(15-12-18)16-17-4-7-20(28-2)8-5-17/h4-5,7-8,18-19,23H,3,6,9-16H2,1-2H3/p+1/t18-/m1/s1