(3S)-N-cyclopropyl-1-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C19H33N5O+2 MolecularWeight: 347.49822

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C19H31N5O/c1-22-12-8-20-18(22)14-23-10-6-17(7-11-23)24-9-2-3-15(13-24)19(25)21-16-4-5-16/h8,12,15-17H,2-7,9-11,13-14H2,1H3,(H,21,25)/p+2/t15-/m0/s1