1-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]piperidin-1-ium-4-amine

Systemtic Name: 1-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]piperidin-1-ium-4-amine Openeye Name: 1-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]piperidin-1-ium-4-amine CAS Name: 1-[[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]piperidin-1-ium-4-amine Traditional Name: [1-[3-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]piperidin-1-ium-4-yl]amine Formula: C18H31N3O+2 MolecularWeight: 305.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC(=C2)C[NH+]3CCC(CC3)N

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)C[NH+]3CCC(CC3)N

InChI

InChI=1S/C18H29N3O/c19-17-6-10-21(11-7-17)15-16-4-3-5-18(14-16)22-13-12-20-8-1-2-9-20/h3-5,14,17H,1-2,6-13,15,19H2/p+2