N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-thenyl)piperidin-1-ium-4-yl]propionamide Formula: C24H35N3OS+2 MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CC[NH+](CC2)CC3=CSC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3OS/c28-24(25-23-10-14-27(18-23)16-21-4-2-1-3-5-21)7-6-20-8-12-26(13-9-20)17-22-11-15-29-19-22/h1-5,11,15,19-20,23H,6-10,12-14,16-18H2,(H,25,28)/p+2/t23-/m0/s1