cyclopropylmethyl-[(4R)-1-[(4-methoxycarbonylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[(4R)-1-[(4-methoxycarbonylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-propyl-azanium Openeye Name: cyclopropylmethyl-[(4R)-1-[(4-methoxycarbonylphenyl)methyl]-7-oxo-azepan-4-yl]-propyl-ammonium CAS Name: cyclopropylmethyl-[(4R)-1-[(4-methoxycarbonylphenyl)methyl]-7-oxo-4-azepanyl]-propylammonium IUPAC Name: cyclopropylmethyl-[(4R)-1-[(4-methoxycarbonylphenyl)methyl]-7-oxoazepan-4-yl]-propylazanium Traditional Name: [(4R)-1-(4-carbomethoxybenzyl)-7-keto-azepan-4-yl]-(cyclopropylmethyl)-propyl-ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC[NH+](CC1CC1)[C@@H]2CCC(=O)N(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H32N2O3/c1-3-13-23(15-17-4-5-17)20-10-11-21(25)24(14-12-20)16-18-6-8-19(9-7-18)22(26)27-2/h6-9,17,20H,3-5,10-16H2,1-2H3/p+1/t20-/m1/s1