1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium

Systemtic Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium Openeye Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium CAS Name: 1-[[(3S)-1-(2-methoxyethyl)-3-pyrrolidinyl]methyl]-4-(3-methyl-4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium Traditional Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium Formula: C18H32N4O+2 MolecularWeight: 320.47288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[NH+]=C1)N2CC[NH+](CC2)CC3CCN(C3)CCOC

Isomeric SMILES

CC1=C(C=C[NH+]=C1)N2CC[NH+](CC2)C[C@H]3CCN(C3)CCOC

InChI

InChI=1S/C18H30N4O/c1-16-13-19-5-3-18(16)22-9-7-21(8-10-22)15-17-4-6-20(14-17)11-12-23-2/h3,5,13,17H,4,6-12,14-15H2,1-2H3/p+2/t17-/m0/s1