(3S)-N-but-2-ynyl-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-but-2-ynyl-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-but-2-ynyl-N-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-but-2-ynyl-N-(2-furanylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-but-2-ynyl-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-but-2-ynyl-N-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C23H37N3O2+2 MolecularWeight: 387.55878

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=CC=CO1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC#CCN(CC1=CC=CO1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C23H35N3O2/c1-4-5-12-26(18-22-9-7-16-28-22)23(27)20-8-6-13-25(17-20)21-10-14-24(15-11-21)19(2)3/h7,9,16,19-21H,6,8,10-15,17-18H2,1-3H3/p+2/t20-/m0/s1