[(3S)-1-(1H-indol-2-ylmethyl)piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(1H-indol-2-ylmethyl)piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(1H-indol-2-ylmethyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(1H-indol-2-ylmethyl)-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(1H-indol-2-ylmethyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(1H-indol-2-ylmethyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C23H30N3+ MolecularWeight: 348.5044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H29N3/c1-25(15-13-19-8-3-2-4-9-19)22-11-7-14-26(18-22)17-21-16-20-10-5-6-12-23(20)24-21/h2-6,8-10,12,16,22,24H,7,11,13-15,17-18H2,1H3/p+1/t22-/m0/s1