[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C21H35N3OS+2 MolecularWeight: 377.5871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C21H33N3OS/c1-17-8-15-26-20(17)16-22-11-6-19(7-12-22)23-13-4-18(5-14-23)21(25)24-9-2-3-10-24/h8,15,18-19H,2-7,9-14,16H2,1H3/p+2