[(2R)-2-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-2-(2-ethoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-2-(2-ethoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-2-(2-ethoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-[4-(cyclopropylmethyl)-1-piperazin-4-iumyl]-2-(2-ethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-2-(2-ethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-2-o-phenetyl-ethyl]ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C[NH3+])N2CC[NH+](CC2)CC3CC3

Isomeric SMILES

CCOC1=CC=CC=C1[C@H](C[NH3+])N2CC[NH+](CC2)CC3CC3

InChI

InChI=1S/C18H29N3O/c1-2-22-18-6-4-3-5-16(18)17(13-19)21-11-9-20(10-12-21)14-15-7-8-15/h3-6,15,17H,2,7-14,19H2,1H3/p+2/t17-/m0/s1