1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-[(2S)-2-oxidanylpropyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-[(2S)-2-oxidanylpropyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2S)-2-hydroxypropyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(2S)-2-hydroxypropyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C22H37N3O2+2 MolecularWeight: 375.54808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC(C)O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC[C@H](C)O

InChI

InChI=1S/C22H35N3O2/c1-17-5-3-4-6-20(17)16-24-11-9-21(10-12-24)25-13-7-19(8-14-25)22(27)23-15-18(2)26/h3-6,18-19,21,26H,7-16H2,1-2H3,(H,23,27)/p+2/t18-/m0/s1