1-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(E)-4-methyl-1-oxopent-2-enyl]-4-piperidinyl]-N-[[(2S)-2-oxolanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C22H38N3O3+ MolecularWeight: 392.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3CCCO3

Isomeric SMILES

CC(C)/C=C/C(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NC[C@@H]3CCCO3

InChI

InChI=1S/C22H37N3O3/c1-17(2)5-6-21(26)25-13-9-19(10-14-25)24-11-7-18(8-12-24)22(27)23-16-20-4-3-15-28-20/h5-6,17-20H,3-4,7-16H2,1-2H3,(H,23,27)/p+1/b6-5+/t20-/m0/s1