dimethyl-[(2S)-4-methyl-1-[(1-propylpiperidin-1-ium-4-yl)amino]pentan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-4-methyl-1-[(1-propylpiperidin-1-ium-4-yl)amino]pentan-2-yl]azanium Openeye Name: dimethyl-[(1S)-3-methyl-1-[[(1-propylpiperidin-1-ium-4-yl)amino]methyl]butyl]ammonium CAS Name: dimethyl-[(2S)-4-methyl-1-[(1-propyl-4-piperidin-1-iumyl)amino]pentan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-4-methyl-1-[(1-propylpiperidin-1-ium-4-yl)amino]pentan-2-yl]azanium Traditional Name: dimethyl-[(1S)-3-methyl-1-[[(1-propylpiperidin-1-ium-4-yl)amino]methyl]butyl]ammonium Formula: C16H37N3+2 MolecularWeight: 271.48508

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NCC(CC(C)C)[NH+](C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC[C@H](CC(C)C)[NH+](C)C

InChI

InChI=1S/C16H35N3/c1-6-9-19-10-7-15(8-11-19)17-13-16(18(4)5)12-14(2)3/h14-17H,6-13H2,1-5H3/p+2/t16-/m0/s1