[2-[1-[(3S)-3-oxidanylbutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(3S)-3-oxidanylbutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(3S)-3-hydroxybutyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCCC3)O

Isomeric SMILES

C[C@@H](CC[NH+]1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCCC3)O

InChI

InChI=1S/C21H32N2O3/c1-17(24)9-14-22-15-10-18(11-16-22)26-20-8-4-3-7-19(20)21(25)23-12-5-2-6-13-23/h3-4,7-8,17-18,24H,2,5-6,9-16H2,1H3/p+1/t17-/m0/s1