methyl-phenethyl-[(3S)-1-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanoyl]piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanoyl]piperidin-3-yl]azanium Openeye Name: [(3S)-1-[2-(1-isopropylpiperidin-1-ium-4-yl)acetyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[1-oxo-2-(1-propan-2-yl-4-piperidin-1-iumyl)ethyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)acetyl]piperidin-3-yl]azanium Traditional Name: [(3S)-1-[2-(1-isopropylpiperidin-1-ium-4-yl)acetyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C24H41N3O+2 MolecularWeight: 387.60184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CC(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CC(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H39N3O/c1-20(2)26-16-12-22(13-17-26)18-24(28)27-14-7-10-23(19-27)25(3)15-11-21-8-5-4-6-9-21/h4-6,8-9,20,22-23H,7,10-19H2,1-3H3/p+2/t23-/m0/s1