[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium

Systemtic Name: [(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Openeye Name: [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium CAS Name: [(3S)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Traditional Name: [(3S)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium Formula: C21H33N3O3+2 MolecularWeight: 375.50502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC[NH+]3CCC(CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CC[NH+]3CCC(CC3)C

InChI

InChI=1S/C21H31N3O3/c1-3-14-27-18-6-4-17(5-7-18)24-20(25)15-19(21(24)26)22-10-13-23-11-8-16(2)9-12-23/h4-7,16,19,22H,3,8-15H2,1-2H3/p+2/t19-/m0/s1